[4-[2-[4-(morpholin-4-ylmethyl)phenyl]-2-oxoethanehydrazonoyl]phenyl] benzoate

C26H25N3O4 — CID 22300327

IUPAC[4-[2-[4-(morpholin-4-ylmethyl)phenyl]-2-oxoethanehydrazonoyl]phenyl] benzoate
SMILESN/N=C(/C(=O)c1ccc(CN2CCOCC2)cc1)c1ccc(OC(=O)c2ccccc2)cc1
InChIInChI=1S/C26H25N3O4/c27-28-24(20-10-12-23(13-11-20)33-26(31)22-4-2-1-3-5-22)25(30)21-8-6-19(7-9-21)18-29-14-16-32-17-15-29/h1-13H,14-18,27H2/b28-24+
InChIKeyDXIQOINOIXNJTJ-ZZIIXHQDSA-N
MW443.50 g/mol
LogP3.28
Rot. Bonds7

About [4-[2-[4-(morpholin-4-ylmethyl)phenyl]-2-oxoethanehydrazonoyl]phenyl] benzoate

[4-[2-[4-(morpholin-4-ylmethyl)phenyl]-2-oxoethanehydrazonoyl]phenyl] benzoate (PubChem CID 22300327) has the molecular formula C26H25N3O4 and a molecular weight of 443.50 g/mol. Its IUPAC name is [4-[2-[4-(morpholin-4-ylmethyl)phenyl]-2-oxoethanehydrazonoyl]phenyl] benzoate.

Molecular Properties

Compound Name[4-[2-[4-(morpholin-4-ylmethyl)phenyl]-2-oxoethanehydrazonoyl]phenyl] benzoate
PubChem CID22300327
Molecular FormulaC26H25N3O4
Molecular Weight443.50 g/mol
Exact Mass443.18
IUPAC Name[4-[2-[4-(morpholin-4-ylmethyl)phenyl]-2-oxoethanehydrazonoyl]phenyl] benzoate
SMILESN/N=C(/C(=O)c1ccc(CN2CCOCC2)cc1)c1ccc(OC(=O)c2ccccc2)cc1
InChIInChI=1S/C26H25N3O4/c27-28-24(20-10-12-23(13-11-20)33-26(31)22-4-2-1-3-5-22)25(30)21-8-6-19(7-9-21)18-29-14-16-32-17-15-29/h1-13H,14-18,27H2/b28-24+
InChIKeyDXIQOINOIXNJTJ-ZZIIXHQDSA-N
XLogP3.28
TPSA94.22 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500443.50
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_one_A(321)', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'phenol_ester', 'substructure': 'N/A'}

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Related Compounds

[4-(3-morpholin-4-yl-2-oxopropanehydrazonoyl)phenyl] benzoate
CID 20845203
[4-(morpholin-4-ylmethyl)phenyl] carbamate
CID 175493722
methyl 4-(morpholin-4-ylmethyl)benzoate
CID 10466592
(2,3-dichlorophenyl) 4-(morpholin-4-ylmethyl)benzoate
CID 9045977
[4-(morpholine-4-carbothioyl)phenyl] benzoate
CID 780934
[2-oxo-2-(N-propan-2-ylanilino)ethyl] 4-(morpholin-4-ylmethyl)benzoate
CID 7769111
ethyl 4-[4-(morpholin-4-ylmethyl)benzoyl]benzoate
CID 24724227
N-benzyl-4-(morpholin-4-ylmethyl)benzamide
CID 786772
[5-(morpholin-4-ylmethyl)thiophen-2-yl] benzoate
CID 174515356
4-[4-[7-[13-[7-[4-(4-carboxyphenoxy)carbonylphenoxy]heptyl]-1,4,10-trioxa-7,13-diazacyclopentadec-7-yl]heptoxy]benzoyl]oxybenzoic acid
CID 102428299
[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl] 4-(morpholin-4-ylmethyl)benzoate
CID 7769284
2-methylpropanoyloxymethyl 4-(morpholin-4-ylmethyl)benzoate
CID 18710298

Frequently Asked Questions

What is the IUPAC name of [4-[2-[4-(morpholin-4-ylmethyl)phenyl]-2-oxoethanehydrazonoyl]phenyl] benzoate?
The IUPAC name of [4-[2-[4-(morpholin-4-ylmethyl)phenyl]-2-oxoethanehydrazonoyl]phenyl] benzoate (CID 22300327) is [4-[2-[4-(morpholin-4-ylmethyl)phenyl]-2-oxoethanehydrazonoyl]phenyl] benzoate.
What is the SMILES notation for [4-[2-[4-(morpholin-4-ylmethyl)phenyl]-2-oxoethanehydrazonoyl]phenyl] benzoate?
The canonical SMILES for [4-[2-[4-(morpholin-4-ylmethyl)phenyl]-2-oxoethanehydrazonoyl]phenyl] benzoate is N/N=C(/C(=O)c1ccc(CN2CCOCC2)cc1)c1ccc(OC(=O)c2ccccc2)cc1.
What is the InChIKey of [4-[2-[4-(morpholin-4-ylmethyl)phenyl]-2-oxoethanehydrazonoyl]phenyl] benzoate?
The InChIKey is DXIQOINOIXNJTJ-ZZIIXHQDSA-N. The full InChI is InChI=1S/C26H25N3O4/c27-28-24(20-10-12-23(13-11-20)33-26(31)22-4-2-1-3-5-22)25(30)21-8-6-19(7-9-21)18-29-14-16-32-17-15-29/h1-13H,14-18,27H2/b28-24+.
What are the key properties of [4-[2-[4-(morpholin-4-ylmethyl)phenyl]-2-oxoethanehydrazonoyl]phenyl] benzoate?
[4-[2-[4-(morpholin-4-ylmethyl)phenyl]-2-oxoethanehydrazonoyl]phenyl] benzoate has a molecular weight of 443.50 g/mol, XLogP of 3.28, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[2-[4-(morpholin-4-ylmethyl)phenyl]-2-oxoethanehydrazonoyl]phenyl] benzoate is sourced from PubChem (CID 22300327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).